4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide

C13H18FNO2 — CID 103862038

IUPAC4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-10(9-16)3-2-8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyJGFCNKAUQRGHJN-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.96
Rot. Bonds6

About 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide

4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide (PubChem CID 103862038) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
PubChem CID103862038
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide
SMILESCC(CO)CCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO2/c1-10(9-16)3-2-8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyJGFCNKAUQRGHJN-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-4-methylpentyl)-4-methylsulfanylbenzamide
CID 103861588
4-(hydroxymethyl)-N-(5-hydroxy-4-methylpentyl)benzamide
CID 106155019
4-bromo-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862163
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
3,4,5-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861735
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-(5-hydroxy-4-methylpentyl)-2H-benzotriazole-5-carboxamide
CID 103861558
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
4-bromo-3-hydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103874700
3-fluoro-N-(5-hydroxy-4-methylpentyl)-5-nitrobenzamide
CID 103862016
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide (CID 103862038) is 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide is CC(CO)CCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
The InChIKey is JGFCNKAUQRGHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-10(9-16)3-2-8-15-13(17)11-4-6-12(14)7-5-11/h4-7,10,16H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide?
4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide has a molecular weight of 239.29 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 103862038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).